ChemDiv1_009879
TL;DR: ChemDiv1_009879 (CAS 374605-80-8) is a chemical compound with molecular formula C28H28N4O7 and molecular weight 532.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_009879, BIM-0003421.P001, dimethyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-[3-(4-ETHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, dimethyl 4-(3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C28H28N4O7 |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 4.427 |
| Topological Polar Surface Area | 134.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1958 |
| Heavy Atoms | 39 |
| Complexity | 1467.3043 |
Chemical Identifiers
| CAS Number | 374605-80-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_009879 (CAS 374605-80-8), with molecular formula C28H28N4O7 and molecular weight 532.20 g/mol. IUPAC: dimethyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_009879
Property Insights of ChemDiv1_009879
The XLogP value of 4.427 indicates that ChemDiv1_009879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009879. Following Lipinski's Rule of Five, ChemDiv1_009879 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009879?
The CAS number of ChemDiv1_009879 is 374605-80-8.
What is the molecular formula of ChemDiv1_009879?
The molecular formula of ChemDiv1_009879 is C28H28N4O7.
What is the molecular weight of ChemDiv1_009879?
The molecular weight of ChemDiv1_009879 is 532.20 g/mol.
Where can I buy ChemDiv1_009879?
You can request a quote for ChemDiv1_009879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009879?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.